6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid

C14H12BrClN2O2 — CID 107575433

IUPAC6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
SMILESCc1cc(Nc2ccc(Cl)c(C(=O)O)n2)cc(C)c1Br
InChIInChI=1S/C14H12BrClN2O2/c1-7-5-9(6-8(2)12(7)15)17-11-4-3-10(16)13(18-11)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyADZMEKPAGUHISD-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.56
Rot. Bonds3

About 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid

6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid (PubChem CID 107575433) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
PubChem CID107575433
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
SMILESCc1cc(Nc2ccc(Cl)c(C(=O)O)n2)cc(C)c1Br
InChIInChI=1S/C14H12BrClN2O2/c1-7-5-9(6-8(2)12(7)15)17-11-4-3-10(16)13(18-11)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyADZMEKPAGUHISD-UHFFFAOYSA-N
XLogP4.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29038766
6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 107575455
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
6-(2-bromo-4-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29032205
6-(3-bromo-4-iodoanilino)-3-chloropyridine-2-carboxylic acid
CID 114262232
6-(4-bromo-3,5-dimethylanilino)pyridine-2-carboxylic acid
CID 107575447
3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
CID 28976726
6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid
CID 107575452
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
6-(2-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 28939546
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid (CID 107575433) is 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid is Cc1cc(Nc2ccc(Cl)c(C(=O)O)n2)cc(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid?
The InChIKey is ADZMEKPAGUHISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-7-5-9(6-8(2)12(7)15)17-11-4-3-10(16)13(18-11)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid?
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid has a molecular weight of 355.62 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 107575433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).